CID 122155840

N-(1,1-dioxo-1lambda6-thiolan-3-yl)-n-[(4-methoxyphenyl)methyl]prop-2-enamide

Structural Information

Molecular Formula

C₁₅H₁₉NO₄S

SMILES

COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C=C

InChI

InChI=1S/C15H19NO4S/c1-3-15(17)16(13-8-9-21(18,19)11-13)10-12-4-6-14(20-2)7-5-12/h3-7,13H,1,8-11H2,2H3

InChIKey

CYGRIEGAZTYTHA-UHFFFAOYSA-N

Compound name

N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.1035 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	310.110776	169.6
[M+Na]+	332.092718	176.2
[M-H]-	308.096224	177.5
[M+NH4]+	327.137323	188.7
[M+K]+	348.066658	173.8
[M+H-H2O]+	292.100760	163.4
[M+HCOO]-	354.101701	188.3
[M+CH3COO]-	368.117351	204.7
[M+Na-2H]-	330.078166	169.1
[M]+	309.10295142	173.3
[M]-	309.10404858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.